cholestane-3-β-5-α,6-β-triol

Chemical Formula:

C₂₇H₄₈O₃

Molecular Weight:

420.674 Daltons

Monoisotopic Mass:

420.3603454071 Daltons

SMILES:

CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC(O)C1(O)(CC(O)CCC(C)1[CH]2CCC(C)34))))

InChI:

1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1

InChIKey:

YMMFNKXZULYSOQ-RUXQDQFYSA-N

Synonyms

3β,5α,6β-Cholestanetriol

Databases

MetaCyc: CPD-8896

HMDB: HMDB03990

LIPID MAPS: LMST01010052

ChemSpider: 82619

PubChem (CID): 91498

ChEBI: 28082

KEGG: C05425

RefMet: 5alpha,6beta-Dihydroxycholestanol 5alpha,6beta-dihydroxycholestanol

Seed: cpd03213

MetaNetX: MNXM2201